N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine

C36H23NOS — CID 167329288

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C36H23NOS/c1-2-10-25(11-3-1)37(31-16-9-19-34-35(31)30-13-5-7-18-33(30)39-34)26-22-20-24(21-23-26)27-14-8-15-29-28-12-4-6-17-32(28)38-36(27)29/h1-23H
InChIKeyOLQROXHOUSXTLD-UHFFFAOYSA-N
MW517.65 g/mol
LogP11.09
Rot. Bonds4

About N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine

N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine (PubChem CID 167329288) has the molecular formula C36H23NOS and a molecular weight of 517.65 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
PubChem CID167329288
Molecular FormulaC36H23NOS
Molecular Weight517.65 g/mol
Exact Mass517.15
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C36H23NOS/c1-2-10-25(11-3-1)37(31-16-9-19-34-35(31)30-13-5-7-18-33(30)39-34)26-22-20-24(21-23-26)27-14-8-15-29-28-12-4-6-17-32(28)38-36(27)29/h1-23H
InChIKeyOLQROXHOUSXTLD-UHFFFAOYSA-N
XLogP11.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.65
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-1-amine
CID 164968895
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324123
N,4-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 176824673
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-1-amine
CID 170676842
N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
N-(4-dibenzofuran-4-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-4-yl-N-phenylaniline
CID 170040489
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805429
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767167
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326359
N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine
CID 177130918
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
CID 164987719
N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164985244

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine (CID 167329288) is N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine is c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine?
The InChIKey is OLQROXHOUSXTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NOS/c1-2-10-25(11-3-1)37(31-16-9-19-34-35(31)30-13-5-7-18-33(30)39-34)26-22-20-24(21-23-26)27-14-8-15-29-28-12-4-6-17-32(28)38-36(27)29/h1-23H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine has a molecular weight of 517.65 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 167329288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).